SCHEMBL20140171

SCHEMBL20140171

COc1ccc(C(CC(=O)O)c2cc(C=CCC3(C)OCCO3)n(COCC[Si](C)(C)C)n2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
ITGA2B P08514 1/20 0.32
ITGB6 P18564 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 2/20 0.30
RPS6KA1 Q15418 1/20 0.30
CTSA P10619 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20140079 1.00 FFAR1 (0.34) FFAR1ITGB3ITGAVITGA2BITGB6
SCHEMBL29860501 0.92 ITGB3 (0.31) ITGB3ITGAVITGA2BITGB6
SCHEMBL28740495 0.92 ITGB3 (0.31) ITGB3ITGAVITGA2BITGB6
SCHEMBL20153384 0.92 ITGB3 (0.31) ITGB3ITGAVITGA2BITGB6
SCHEMBL20140288 0.84 FFAR1 (0.40) FFAR1ITGB3ITGAVLMNAMAPK1
SCHEMBL20140522 0.83 FFAR1 (0.35) FFAR1ITGB3ITGAVITGA2BITGB6
SCHEMBL20140781 0.79 FFAR1 (0.41) FFAR1CTSA
SCHEMBL20141586 0.76 FFAR1 (0.37) FFAR1ITGB3ITGAVITGA2BITGB6
SCHEMBL20140712 0.76 CTSA (0.38) FFAR1MAPK1RPS6KA1CTSA
SCHEMBL20140707 0.76 CTSA (0.38) FFAR1MAPK1RPS6KA1CTSA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
EP-3538525-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 FFAR1 247/4885ITGB3 2/4885ITGAV 1/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV FFAR1 272/4885ITGB3 1/4885ITGAV 3/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 FFAR1 235/4885ITGB3 2/4885ITGAV 1/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV FFAR1 307/4885ITGB3 1/4885ITGAV 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.